2-methylpropyl 2-[(5-chloro-2-{[(3-methylphenyl)methyl]sulfanyl}pyrimidine-4-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
2-methylpropyl 2-[(5-chloro-2-{[(3-methylphenyl)methyl]sulfanyl}pyrimidine-4-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
2-methylpropyl 2-[(5-chloro-2-{[(3-methylphenyl)methyl]sulfanyl}pyrimidine-4-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | D244-0163 |
| Compound Name: | 2-methylpropyl 2-[(5-chloro-2-{[(3-methylphenyl)methyl]sulfanyl}pyrimidine-4-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 491.03 |
| Molecular Formula: | C22 H23 Cl N4 O3 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SCc1cccc(C)c1)[Cl])=O)c1nc(C)c(C(=O)OCC(C)C)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.4409 |
| logD: | 4.625 |
| logSw: | -6.2138 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.396 |
| InChI Key: | ONWOBZDOVHXMHZ-UHFFFAOYSA-N |